8-Benzylcanadine
TL;DR: 8-Benzylcanadine (CAS 61065-16-5) is a chemical compound with molecular formula C27H27NO4 and molecular weight 429.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
14-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene
Also Known As: 8-Benzylcanadine, C(c1ccccc1)C2N3CCc4cc5OCOc5cc4C3Cc6ccc(OC)c(OC)c26, 14-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene, 9,10-dimethoxy-8-benzyl-5,6,7,8,13,13a-hexahydro-2H-1,3-dioxoleno[4,5-g]isoqui nolino[3,2-a]isoquinoline, 14-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-2,4(8),9,15(20),16,18-hexaene
| Molecular Formula | C27H27NO4 |
|---|---|
| Molecular Weight | 429.19 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 40.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.194 |
| Heavy Atoms | 32 |
| Complexity | 639.0 |
Chemical Identifiers
| CAS Number | 61065-16-5 |
|---|---|
| SMILES | COC1=C(C2=C(CC3C4=CC5=C(C=C4CCN3C2CC6=CC=CC=C6)OCO5)C=C1)OC |
| InChIKey | SKWMDAJIQZJZKL-UHFFFAOYSA-N |
Product Overview
8-Benzylcanadine (CAS 61065-16-5), with molecular formula C27H27NO4 and molecular weight 429.19 g/mol. IUPAC: 14-benzyl-16,17-dimethoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-2,4(8),9,15(20),16,18-hexaene.
Chemical Property Profile of 8-Benzylcanadine
Property Insights of 8-Benzylcanadine
The XLogP value of 5.1 indicates that 8-Benzylcanadine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.2 Ų, 8-Benzylcanadine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Benzylcanadine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 8-Benzylcanadine?
The CAS number of 8-Benzylcanadine is 61065-16-5.
What is the molecular formula of 8-Benzylcanadine?
The molecular formula of 8-Benzylcanadine is C27H27NO4.
What is the molecular weight of 8-Benzylcanadine?
The molecular weight of 8-Benzylcanadine is 429.19 g/mol.
Where can I buy 8-Benzylcanadine?
You can request a quote for 8-Benzylcanadine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Benzylcanadine?
Yes, KEHONG BIO provides custom synthesis services for 8-Benzylcanadine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.